SCHEMBL4703000

SCHEMBL4703000

COc1ccnc(C)c1OBOc1c(OC)ccnc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.34
PDE2A O00408 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE10A Q9Y233 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TGFBR1 P36897 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
NMT1 P30419 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3979208 0.84 MAOA (0.50) MAOASMN1; SMN2PDE2APDE4APDE4B
Hydrochloric Acid SCHEMBL28215751 0.82 MAOA (0.53) MAOASMN1; SMN2PDE2APDE4APDE4B
Acetic Acid SCHEMBL28215170 0.74 KDM4E (0.42) MAOASMN1; SMN2ALDH1A1TGFBR1
SCHEMBL21186144 0.73 TUBB4A (0.41) MAOAALDH1A1TGFBR1
SCHEMBL4080571 0.73 MAOA (0.42) MAOAPDE2APDE4APDE4BPDE4C
SCHEMBL31278202 0.73 MAOA (0.42) MAOAPDE2APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL8708948 0.72 MAOA (0.52) MAOAPDE2APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL27652560 0.71 MAOA (0.46) MAOAPDE2APDE4APDE4BPDE4C
SCHEMBL31147147 0.71 MAOA (0.41) MAOAPDE2APDE4APDE4BPDE4C
SCHEMBL5583648 0.70 BCHE (0.50) SMN1; SMN2ADRA1DADRA1AADRA1BGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP disclosed
US-20070213373-A1 Indazole derivatives as CRF antagonists COURNOYER RICHARD L 2007-09-13 US disclosed
US-7214699-B2 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-08 US disclosed
EP-1569911-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP disclosed
WO-2004050634-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO disclosed
US-20040110815-A1 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC 2004-06-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070213373-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, CRH MAOA 1071/4885SMN1; SMN2 3382/4885PDE2A 770/4885
US-20040110815-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, ARRB1 MAOA 842/4885SMN1; SMN2 3113/4885PDE2A 784/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.